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19	19	Mathematically speaking this process is an energy decomposition method, which starts with the calculation of the unbound part of the potential E (van der Waals, electrostatic interactions, solvent effects) through an MM/GBSA calculation:
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	21	+(% style="text-align:center" %)
	22	+[[image:image-20230111154750-1.png||height="263" width="536"]]
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22		-= Who has access? =
	24	+Since the first eigenvector contains most of the relevant energy information about the interactions in the system, we can approximate the matrix energy to the first eigenvector:
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24		-Describe the audience of this collab.
	26	+(% style="text-align:center" %)
	27	+[[image:image-20230111154917-1.png||height="47" width="225"]]
	28	+
	29	+Finally, we can filter the approximated interaction matrix for residues that are in geometric proximity in the structure (closer than 6).
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	33	+= How to use the script =
	34	+
	35	+Please see the attached documentation files in Drive repository.
25	25	)))
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